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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
Species | Name |
---|---|
C8H8 | cyclooctatetraene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.079 | 2008Kum/Lob:9134 | re | 1 | 9 | ||
rCC | 1.337 | 2008Kum/Lob:9134 | re | 1 | 2 | ||
rCC | 1.470 | 2008Kum/Lob:9134 | re | 1 | 5 | ||
rCC | 2.511 | 1976Hellwege(II/7) | not bonded | 1 | 6 | ||
rCH | 2.091 | 1976Hellwege(II/7) | not bonded | 1 | 10 | ||
aCCC | 126.6 | 1976Hellwege(II/7) | ae | 1 | 2 | 6 | |
aHCC | 117.7 | 2008Kum/Lob:9134 | ae | 1 | 2 | 10 | |
aHCC | 115.6 | 2008Kum/Lob:9134 | ae | 1 | 5 | 13 |
squib | reference |
---|---|
1976Hellwege(II/7) | Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976. |
2008Kum/Lob:9134 | DS Kummli, S Lobsiger, H-M Frey, S Leutwyler, JF Stanton, "Accurate Determination of the Structure of Cyclooctatetraene by Femtosecond Rotational Coherence Spectroscopy and ab Initio Calculations" J. Phys. Chem. A 2008, 112, 9134-9143 |